Mol:FL5FECGS0066
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
56 61 0 0 0 0 0 0 0 0999 V2000
2.5000 1.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7855 1.8686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7855 2.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 3.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2145 2.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2145 1.8686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0710 1.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3566 1.8686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3579 1.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3579 0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3566 0.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0710 0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0724 1.8686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7868 1.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7868 0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0724 0.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3566 -0.4182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5013 1.8686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7855 0.2186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0724 -0.3575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9289 3.1061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 3.9311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4479 0.2494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1493 0.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2438 4.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4009 -1.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3711 -1.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8563 -1.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6140 -0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8419 -0.6877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3567 -1.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2966 -1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8947 -1.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7010 -2.2022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0958 -2.2437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6834 -1.4898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4153 -2.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6433 -3.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1581 -2.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4004 -2.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1725 -1.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6577 -2.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3078 -2.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9123 -2.6637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9289 -3.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2997 -3.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4222 -2.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1214 -3.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1214 -4.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3055 -4.3381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1376 -3.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6733 -3.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2438 -3.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3055 -3.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7154 -3.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3566 -2.7506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
15 23 1 0 0 0 0
23 24 1 0 0 0 0
22 25 1 0 0 0 0
26 27 1 1 0 0 0
27 28 1 1 0 0 0
29 28 1 1 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
26 34 1 0 0 0 0
27 35 1 0 0 0 0
28 36 1 0 0 0 0
37 38 1 1 0 0 0
38 39 1 1 0 0 0
40 39 1 1 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 37 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
37 45 1 0 0 0 0
38 46 1 0 0 0 0
39 47 1 0 0 0 0
40 33 1 0 0 0 0
29 19 1 0 0 0 0
54 48 1 1 0 0 0
53 48 1 1 0 0 0
52 54 1 1 0 0 0
48 49 1 0 0 0 0
54 50 1 0 0 0 0
55 52 1 0 0 0 0
51 56 1 0 0 0 0
53 55 1 0 0 0 0
48 51 1 0 0 0 0
36 52 1 0 0 0 0
S SKP 5
ID FL5FECGS0066
FORMULA C34H42O22
EXACTMASS 802.216773028
AVERAGEMASS 802.68408
SMILES c(c6)(cc(c(O)c6)OC)C(=C(OC(C4OC(O5)C(O)C(C5)(CO)O)OC(C(O)C4O)COC(O3)C(O)C(C(O)C(CO)3)O)2)Oc(c1)c(C2=O)c(O)c(OC)c(O)1
M END
